Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
-3.3595 0.0282 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6945 1.1284 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4102 0.6878 -1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4021 0.2128 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8352 -0.2021 -0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9206 -0.6985 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1153 -1.0919 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3023 -0.5237 -0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3404 -0.8853 -0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9547 -0.1087 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4472 0.2761 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5294 2.0431 0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3898 1.4196 -1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9743 1.5509 -1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6221 -0.0883 -1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8847 -0.5987 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2361 1.0608 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2006 0.6824 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5541 -1.0451 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2408 0.1466 0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5818 -1.5039 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9558 -1.8852 -1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4191 0.2513 0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1197 -0.8567 -1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers